5-[[4-[4-(3-chlorophenyl)piperazin-1-yl]sulfonylphenyl]methyl]-3-methyl-1H-pyridazin-6-one

Systemtic Name: 5-[[4-[4-(3-chlorophenyl)piperazin-1-yl]sulfonylphenyl]methyl]-3-methyl-1H-pyridazin-6-one Openeye Name: 5-[[4-[4-(3-chlorophenyl)piperazin-1-yl]sulfonylphenyl]methyl]-3-methyl-1H-pyridazin-6-one CAS Name: 5-[[4-[[4-(3-chlorophenyl)-1-piperazinyl]sulfonyl]phenyl]methyl]-3-methyl-1H-pyridazin-6-one IUPAC Name: 5-[[4-[4-(3-chlorophenyl)piperazin-1-yl]sulfonylphenyl]methyl]-3-methyl-1H-pyridazin-6-one Traditional Name: 5-[4-[4-(3-chlorophenyl)piperazino]sulfonylbenzyl]-3-methyl-1H-pyridazin-6-one Formula: C22H23ClN4O3S MolecularWeight: 458.96102

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NNC(=O)C(=C1)CC2=CC=C(C=C2)S(=O)(=O)N3CCN(CC3)C4=CC(=CC=C4)Cl

Isomeric SMILES

CC1=NNC(=O)C(=C1)CC2=CC=C(C=C2)S(=O)(=O)N3CCN(CC3)C4=CC(=CC=C4)Cl

InChI

InChI=1S/C22H23ClN4O3S/c1-16-13-18(22(28)25-24-16)14-17-5-7-21(8-6-17)31(29,30)27-11-9-26(10-12-27)20-4-2-3-19(23)15-20/h2-8,13,15H,9-12,14H2,1H3,(H,25,28)